CAS
94914-42-8 Purity
96%
94914-42-8 Purity
96%
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1-(4-Fluoro-5-methoxy-2-nitrophenyl)-ethanone
CAS
949159-96-0
Catalog Number
ACM949159960
Category
Other Products
Molecular Formula
C9H8FNO4
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What is the molecular formula of the compound?
The molecular formula of the compound is C9H8FNO4.
What is the molecular weight of the compound?
The molecular weight of the compound is 213.16 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-(4-fluoro-5-methoxy-2-nitrophenyl)ethanone.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC(=O)C1=CC(=C(C=C1[N+](=O)[O-])F)OC.
How many hydrogen bond donor count does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor count does the compound have?
The compound has 5 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.5.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 72.1 Ų.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
949159-61-9 Purity
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949159-61-9 Purity
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